S-(2-Methyl-2-Propanyl) Cyclohexanecarbothioate

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Properties Simple | Detailed

Formula C11H20OS
IUPAC Name s-tert-butyl cyclohexanecarbothioate
Molecular Mass 200.341 g·mol−1
Heat of Formation -351.5 ± 16.7 kJ·mol−1
Dipole Moment 0.63 ± 1.08 D
Volume 267.64 Å 3
Surface Area 240.89 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • cyclohexanecarbothioic acid s-tert-butyl ester
  • s-tert-butyl cyclohexanecarbothioate
CAS Number(s)
  • 54829-37-7
InChIKey XAQLRTIMENGSOD-UHFFFAOYSA-N
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DOI
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Elements H C S O